N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C16H22N2O2 — CID 106609254

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H22N2O2/c1-2-18(9-15-4-3-7-17-15)16(19)12-5-6-13-10-20-11-14(13)8-12/h5-6,8,15,17H,2-4,7,9-11H2,1H3
InChIKeyWEDIMWIPZJYOLS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 106609254) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID106609254
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H22N2O2/c1-2-18(9-15-4-3-7-17-15)16(19)12-5-6-13-10-20-11-14(13)8-12/h5-6,8,15,17H,2-4,7,9-11H2,1H3
InChIKeyWEDIMWIPZJYOLS-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 106609254) is N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide is CCN(CC1CCCN1)C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is WEDIMWIPZJYOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-18(9-15-4-3-7-17-15)16(19)12-5-6-13-10-20-11-14(13)8-12/h5-6,8,15,17H,2-4,7,9-11H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 106609254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).